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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

M06-2X/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3583 -0.5596 0.1199   -1.3432 -0.5962 0.1126
C2 -0.6310 0.6485 -0.2765   -0.6463 0.6282 -0.2881
C3 0.7820 0.5521 0.2729   0.7637 0.5761 0.2750
O4 1.4079 -0.6278 -0.1692   1.4264 -0.5897 -0.1506
H5 -1.6370 -0.5053 1.0920   -1.6324 -0.5412 1.0816
H6 -2.2002 -0.6807 -0.4255   -2.1763 -0.7457 -0.4394
H7 -1.1000 1.5813 0.0553   -1.1442 1.5504 0.0308
H8 -0.5787 0.6650 -1.3656   -0.5842 0.6364 -1.3768
H9 1.3809 1.3968 -0.0678   1.3420 1.4342 -0.0679
H10 0.7469 0.5894 1.3706   0.7173 0.6222 1.3720
H11 0.7269 -1.3107 -0.1234   0.7643 -1.2909 -0.1049
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4648 2.4166 2.7821 1.0127 1.0104 2.1574 2.0770 3.3713 2.7049 2.2297
C2 1.4648 1.5191 2.4079 2.0533 2.0618 1.0955 1.0905 2.1567 2.1483 2.3887
C3 2.4166 1.5191 1.4069 2.7641 3.3016 2.1561 2.1328 1.0901 1.0990 1.9053
O4 2.7821 2.4079 1.4069 3.2981 3.6176 3.3497 2.6551 2.0273 2.0712 0.9655
H5 1.0127 2.0533 2.7641 3.2981 1.6282 2.3911 2.9205 3.7511 2.6380 2.7774
H6 1.0104 2.0618 3.3016 3.6176 1.6282 2.5609 2.3073 4.1555 3.6776 3.0093
H7 2.1574 1.0955 2.1561 3.3497 2.3911 2.5609 1.7693 2.4909 2.4749 3.4254
H8 2.0770 1.0905 2.1328 2.6551 2.9205 2.3073 1.7693 2.4617 3.0414 2.6741
H9 3.3713 2.1567 1.0901 2.0273 3.7511 4.1555 2.4909 2.4617 1.7671 2.7859
H10 2.7049 2.1483 1.0990 2.0712 2.6380 3.6776 2.4749 3.0414 1.7671 2.4172
H11 2.2297 2.3887 1.9053 0.9655 2.7774 3.0093 3.4254 2.6741 2.7859 2.4172
Maximum atom distance is 4.1555Å between atoms H6 and H9.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 108.154 C2 C3 O4 110.700
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 114.063 N1 C2 H8 107.852
C2 N1 H5 110.625 C2 N1 H6 111.496
C2 C3 H9 110.419 C2 C3 H10 109.235
C3 C2 H7 110.045 C3 C2 H8 108.512
C3 O4 H11 105.332 O4 C3 H9 107.889
O4 C3 H10 110.887 H5 N1 H6 107.175
H7 C2 H8 108.070 H9 C3 H10 107.659

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.